9-[(4-bromophenyl)methyl]-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
Chemical Structure Depiction of
9-[(4-bromophenyl)methyl]-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
9-[(4-bromophenyl)methyl]-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
Compound characteristics
| Compound ID: | F403-0310 |
| Compound Name: | 9-[(4-bromophenyl)methyl]-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one |
| Molecular Weight: | 397.31 |
| Molecular Formula: | C21 H21 Br N2 O |
| Smiles: | Cc1cc2c(cc1C)N(Cc1ccc(cc1)[Br])C(C1CCCC1=N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.205 |
| logD: | 5.205 |
| logSw: | -5.0326 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.3635 |
| InChI Key: | MTYIXANEGJIPAA-KRWDZBQOSA-N |